ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclohexyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclohexyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclohexoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-[[cyclohexyloxy(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-7-oxo-7-[(triphenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclohexyloxycarbonylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclohexoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-keto-7-(tritylamino)hept-2-enoic acid ethyl ester Formula: C50H60N4O7 MolecularWeight: 829.034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(C)C)NC(=O)OC5CCCCC5

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(C)C)NC(=O)OC5CCCCC5

InChI

InChI=1S/C50H60N4O7/c1-4-60-46(56)33-31-41(30-32-45(55)54-50(38-22-12-6-13-23-38,39-24-14-7-15-25-39)40-26-16-8-17-27-40)51-47(57)44(35-37-20-10-5-11-21-37)52-48(58)43(34-36(2)3)53-49(59)61-42-28-18-9-19-29-42/h5-8,10-17,20-27,31,33,36,41-44H,4,9,18-19,28-30,32,34-35H2,1-3H3,(H,51,57)(H,52,58)(H,53,59)(H,54,55)/b33-31+/t41-,43-,44-/m0/s1